4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide

C19H29N3O4 — CID 49121588

IUPAC4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)N1CCCN(C2CC2)CC1
InChIInChI=1S/C19H29N3O4/c1-24-16-12-18(26-3)17(25-2)11-14(16)13-20-19(23)22-8-4-7-21(9-10-22)15-5-6-15/h11-12,15H,4-10,13H2,1-3H3,(H,20,23)
InChIKeyPYCMYGURUICPHU-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.09
Rot. Bonds6

About 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide

4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 49121588) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID49121588
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)N1CCCN(C2CC2)CC1
InChIInChI=1S/C19H29N3O4/c1-24-16-12-18(26-3)17(25-2)11-14(16)13-20-19(23)22-8-4-7-21(9-10-22)15-5-6-15/h11-12,15H,4-10,13H2,1-3H3,(H,20,23)
InChIKeyPYCMYGURUICPHU-UHFFFAOYSA-N
XLogP2.09
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-cyclopropyl-1,4-diazepane-1-carboxamide
CID 49124698
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione;hydrochloride
CID 18456324
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 138044140
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid
CID 154914956
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide (CID 49121588) is 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)N1CCCN(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is PYCMYGURUICPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-24-16-12-18(26-3)17(25-2)11-14(16)13-20-19(23)22-8-4-7-21(9-10-22)15-5-6-15/h11-12,15H,4-10,13H2,1-3H3,(H,20,23).
What are the key properties of 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide?
4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 49121588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).