2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide

C14H22N4O2 — CID 43695581

IUPAC2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(N)C(C)C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O2/c1-8(2)12(15)13(19)17-9(3)10-4-6-11(7-5-10)18-14(16)20/h4-9,12H,15H2,1-3H3,(H,17,19)(H3,16,18,20)
InChIKeyDLKDZQIZFZKKSJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.34
Rot. Bonds5

About 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide

2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide (PubChem CID 43695581) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
PubChem CID43695581
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(N)C(C)C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O2/c1-8(2)12(15)13(19)17-9(3)10-4-6-11(7-5-10)18-14(16)20/h4-9,12H,15H2,1-3H3,(H,17,19)(H3,16,18,20)
InChIKeyDLKDZQIZFZKKSJ-UHFFFAOYSA-N
XLogP1.34
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
CID 61155319
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide (CID 43695581) is 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide is CC(NC(=O)C(N)C(C)C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide?
The InChIKey is DLKDZQIZFZKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8(2)12(15)13(19)17-9(3)10-4-6-11(7-5-10)18-14(16)20/h4-9,12H,15H2,1-3H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide?
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide has a molecular weight of 278.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 43695581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).