2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide

C16H19N3O2 — CID 4637022

IUPAC2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H19N3O2/c1-10(2)14(19-16(17)21)15(20)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyYFKAVOOKNXCVDL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.47
Rot. Bonds4

About 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide

2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide (PubChem CID 4637022) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
PubChem CID4637022
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H19N3O2/c1-10(2)14(19-16(17)21)15(20)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyYFKAVOOKNXCVDL-UHFFFAOYSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide
CID 42703790
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
CID 167987690

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide (CID 4637022) is 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide is CC(C)C(NC(N)=O)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide?
The InChIKey is YFKAVOOKNXCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)14(19-16(17)21)15(20)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3,(H,18,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide?
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide has a molecular weight of 285.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide is sourced from PubChem (CID 4637022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).