N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide

C20H32N4O4 — CID 30721755

IUPACN-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCCN(CC(=O)NC(C)C)CC2)c(OC)c1
InChIInChI=1S/C20H32N4O4/c1-15(2)21-19(25)13-23-8-5-9-24(11-10-23)14-20(26)22-17-7-6-16(27-3)12-18(17)28-4/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyHOOFCKVJXDVVRF-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.17
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 30721755) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
PubChem CID30721755
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCCN(CC(=O)NC(C)C)CC2)c(OC)c1
InChIInChI=1S/C20H32N4O4/c1-15(2)21-19(25)13-23-8-5-9-24(11-10-23)14-20(26)22-17-7-6-16(27-3)12-18(17)28-4/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyHOOFCKVJXDVVRF-UHFFFAOYSA-N
XLogP1.17
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 52920763
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
2-[4-(3,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 52921013
N-(2,4-dimethoxyphenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920898
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide (CID 30721755) is N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide is COc1ccc(NC(=O)CN2CCCN(CC(=O)NC(C)C)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is HOOFCKVJXDVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-15(2)21-19(25)13-23-8-5-9-24(11-10-23)14-20(26)22-17-7-6-16(27-3)12-18(17)28-4/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 30721755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).