2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide

C14H22N4O2 — CID 119702060

IUPAC2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(NC(=O)NC)c1
InChIInChI=1S/C14H22N4O2/c1-4-9(2)12(15)13(19)17-10-6-5-7-11(8-10)18-14(20)16-3/h5-9,12H,4,15H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyKNNPHMBXAQQFOW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide

2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide (PubChem CID 119702060) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
PubChem CID119702060
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(NC(=O)NC)c1
InChIInChI=1S/C14H22N4O2/c1-4-9(2)12(15)13(19)17-10-6-5-7-11(8-10)18-14(20)16-3/h5-9,12H,4,15H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyKNNPHMBXAQQFOW-UHFFFAOYSA-N
XLogP1.75
TPSA96.25 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 ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
(E)-3-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]prop-2-enoic acid
CID 115339681
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide (CID 119702060) is 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1cccc(NC(=O)NC)c1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide?
The InChIKey is KNNPHMBXAQQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-9(2)12(15)13(19)17-10-6-5-7-11(8-10)18-14(20)16-3/h5-9,12H,4,15H2,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide?
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide has a molecular weight of 278.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide is sourced from PubChem (CID 119702060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).