2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide

C18H23N3O2 — CID 78776331

IUPAC2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
SMILESCC(NC(=O)C(NC(N)=O)C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C18H23N3O2/c1-11(2)16(21-18(19)23)17(22)20-12(3)14-9-8-13-6-4-5-7-15(13)10-14/h4-12,16H,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyJOVACKZGBKPUEL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.71
Rot. Bonds5

About 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide

2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide (PubChem CID 78776331) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
PubChem CID78776331
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
SMILESCC(NC(=O)C(NC(N)=O)C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C18H23N3O2/c1-11(2)16(21-18(19)23)17(22)20-12(3)14-9-8-13-6-4-5-7-15(13)10-14/h4-12,16H,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyJOVACKZGBKPUEL-UHFFFAOYSA-N
XLogP2.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]benzamide
CID 43011329
tert-butyl N-[(2S)-3-methyl-1-[[(1R)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]carbamate
CID 15300663
2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide
CID 34763220
(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide
CID 40714921
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
2-chloro-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]-4-nitrobenzamide
CID 112762265
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
CID 167987690
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119269340

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide (CID 78776331) is 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide is CC(NC(=O)C(NC(N)=O)C(C)C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide?
The InChIKey is JOVACKZGBKPUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(2)16(21-18(19)23)17(22)20-12(3)14-9-8-13-6-4-5-7-15(13)10-14/h4-12,16H,1-3H3,(H,20,22)(H3,19,21,23).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide?
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.71, 5 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-(1-naphthalen-2-ylethyl)butanamide is sourced from PubChem (CID 78776331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).