3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide

C18H28N4O3 — CID 175335295

IUPAC3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCN=C(N)N)cc1OC1CCCC1
InChIInChI=1S/C18H28N4O3/c1-24-15-9-8-13(12-16(15)25-14-6-2-3-7-14)17(23)21-10-4-5-11-22-18(19)20/h8-9,12,14H,2-7,10-11H2,1H3,(H,21,23)(H4,19,20,22)
InChIKeyLELLOWWODOKJGZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.80
Rot. Bonds9

About 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide

3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide (PubChem CID 175335295) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
PubChem CID175335295
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCN=C(N)N)cc1OC1CCCC1
InChIInChI=1S/C18H28N4O3/c1-24-15-9-8-13(12-16(15)25-14-6-2-3-7-14)17(23)21-10-4-5-11-22-18(19)20/h8-9,12,14H,2-7,10-11H2,1H3,(H,21,23)(H4,19,20,22)
InChIKeyLELLOWWODOKJGZ-UHFFFAOYSA-N
XLogP1.80
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide;hydrochloride
CID 174646948
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
(NZ)-N-[2-chloro-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 87638358
3-cyclopentyloxy-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzamide
CID 75503642
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide?
The IUPAC name of 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide (CID 175335295) is 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCCN=C(N)N)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide?
The InChIKey is LELLOWWODOKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-15-9-8-13(12-16(15)25-14-6-2-3-7-14)17(23)21-10-4-5-11-22-18(19)20/h8-9,12,14H,2-7,10-11H2,1H3,(H,21,23)(H4,19,20,22).
What are the key properties of 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide?
3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide has a molecular weight of 348.45 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide is sourced from PubChem (CID 175335295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).