4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

C15H24N4O2 — CID 43252394

IUPAC4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCN(CCN)CC1
InChIInChI=1S/C15H24N4O2/c1-21-14-6-3-2-5-13(14)17-15(20)19-9-4-8-18(10-7-16)11-12-19/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20)
InChIKeyXRBULYUSNFVLQO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.19
Rot. Bonds4

About 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 43252394) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
PubChem CID43252394
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCN(CCN)CC1
InChIInChI=1S/C15H24N4O2/c1-21-14-6-3-2-5-13(14)17-15(20)19-9-4-8-18(10-7-16)11-12-19/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20)
InChIKeyXRBULYUSNFVLQO-UHFFFAOYSA-N
XLogP1.19
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24528511
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
4-(2-aminoethyl)-N-(2-sulfanylphenyl)piperazine-1-carboxamide
CID 108886367
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86987229
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide (CID 43252394) is 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide is COc1ccccc1NC(=O)N1CCCN(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is XRBULYUSNFVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-14-6-3-2-5-13(14)17-15(20)19-9-4-8-18(10-7-16)11-12-19/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20).
What are the key properties of 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 43252394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).