N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide

C29H36N2O4 — CID 143404891

IUPACN-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(CCCN)Cc2cccc(OCC(C)C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C29H36N2O4/c1-22(2)20-34-26-12-7-11-24(17-26)19-31(16-8-15-30)29(32)25-13-14-27(28(18-25)33-3)35-21-23-9-5-4-6-10-23/h4-7,9-14,17-18,22H,8,15-16,19-21,30H2,1-3H3
InChIKeyNKAAVLQXMZKFBP-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.30
Rot. Bonds13

About N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide

N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide (PubChem CID 143404891) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
PubChem CID143404891
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(CCCN)Cc2cccc(OCC(C)C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C29H36N2O4/c1-22(2)20-34-26-12-7-11-24(17-26)19-31(16-8-15-30)29(32)25-13-14-27(28(18-25)33-3)35-21-23-9-5-4-6-10-23/h4-7,9-14,17-18,22H,8,15-16,19-21,30H2,1-3H3
InChIKeyNKAAVLQXMZKFBP-UHFFFAOYSA-N
XLogP5.30
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide 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

N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(2-aminoethyl)-N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-4-phenylmethoxybenzamide
CID 143404845
1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide (CID 143404891) is N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide is COc1cc(C(=O)N(CCCN)Cc2cccc(OCC(C)C)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide?
The InChIKey is NKAAVLQXMZKFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-22(2)20-34-26-12-7-11-24(17-26)19-31(16-8-15-30)29(32)25-13-14-27(28(18-25)33-3)35-21-23-9-5-4-6-10-23/h4-7,9-14,17-18,22H,8,15-16,19-21,30H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide?
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide has a molecular weight of 476.62 g/mol, XLogP of 5.30, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 143404891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).