propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate

C30H43N3O6 — CID 54169069

IUPACpropan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate
SMILESCOc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NNC(=O)OC(C)C)cc1
InChIInChI=1S/C30H43N3O6/c1-21(2)33(22(3)4)29(34)25-13-16-27(28(19-25)36-7)38-18-10-8-9-17-37-26-14-11-24(12-15-26)20-31-32-30(35)39-23(5)6/h11-16,19-23H,8-10,17-18H2,1-7H3,(H,32,35)
InChIKeyOTSXUVHHRRJVDY-UHFFFAOYSA-N
MW541.69 g/mol
LogP6.05
Rot. Bonds15

About propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate

propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate (PubChem CID 54169069) has the molecular formula C30H43N3O6 and a molecular weight of 541.69 g/mol. Its IUPAC name is propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate
PubChem CID54169069
Molecular FormulaC30H43N3O6
Molecular Weight541.69 g/mol
Exact Mass541.32
IUPAC Namepropan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate
SMILESCOc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NNC(=O)OC(C)C)cc1
InChIInChI=1S/C30H43N3O6/c1-21(2)33(22(3)4)29(34)25-13-16-27(28(19-25)36-7)38-18-10-8-9-17-37-26-14-11-24(12-15-26)20-31-32-30(35)39-23(5)6/h11-16,19-23H,8-10,17-18H2,1-7H3,(H,32,35)
InChIKeyOTSXUVHHRRJVDY-UHFFFAOYSA-N
XLogP6.05
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-[5-[4-[(Z)-N'-methylsulfonylcarbamimidoyl]phenoxy]pentoxy]-N,N-di(propan-2-yl)benzamide
CID 18991708
3-chloro-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide
CID 67744746
N-[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]benzenecarboximidoyl]-3,4-dimethoxybenzamide
CID 152771650
N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127
3-methoxy-N,N-di(propan-2-yl)-4-[5-[4-[N-(propan-2-ylcarbamoyl)carbamimidoyl]phenoxy]pentoxy]benzamide
CID 173333916
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744831
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 67744792
4-[5-(4-carbamimidoylphenoxy)pentoxy]-3-methoxy-N,N-di(propan-2-yl)benzamide;2-hydroxyethanesulfonic acid
CID 18991679
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate (CID 54169069) is propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate is COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NNC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate?
The InChIKey is OTSXUVHHRRJVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O6/c1-21(2)33(22(3)4)29(34)25-13-16-27(28(19-25)36-7)38-18-10-8-9-17-37-26-14-11-24(12-15-26)20-31-32-30(35)39-23(5)6/h11-16,19-23H,8-10,17-18H2,1-7H3,(H,32,35).
What are the key properties of propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate?
propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate has a molecular weight of 541.69 g/mol, XLogP of 6.05, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 54169069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).