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

C14H22N4O — CID 43252398

IUPAC4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
SMILESNCCN1CCCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H22N4O/c15-7-10-17-8-4-9-18(12-11-17)14(19)16-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,15H2,(H,16,19)
InChIKeyGYSAOKRICBGFNX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.18
Rot. Bonds3

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

4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide (PubChem CID 43252398) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
PubChem CID43252398
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
SMILESNCCN1CCCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H22N4O/c15-7-10-17-8-4-9-18(12-11-17)14(19)16-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,15H2,(H,16,19)
InChIKeyGYSAOKRICBGFNX-UHFFFAOYSA-N
XLogP1.18
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fenuron
CID 7560
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
N-Methyl-N',N'-diphenylurea
CID 25711
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
N-Cyclopentyl-N'-phenylurea
CID 25740
N-phenylpyrrolidine-1-carboxamide
CID 791811
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
N-Cyclohexyl-N'-(4-Iodophenyl)Urea
CID 4357
N-Cyclohexyl-N'-phenylurea
CID 13451
1-Ethyl-3-phenylurea
CID 12115

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide (CID 43252398) is 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide is NCCN1CCCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide?
The InChIKey is GYSAOKRICBGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-7-10-17-8-4-9-18(12-11-17)14(19)16-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,15H2,(H,16,19).
What are the key properties of 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide?
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 43252398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).