N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide

C24H34N2O2 — CID 42703790

IUPACN-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide
SMILESCCCCCCCCC(=O)NC(C(=O)Nc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C24H34N2O2/c1-4-5-6-7-8-9-14-22(27)26-23(18(2)3)24(28)25-21-16-15-19-12-10-11-13-20(19)17-21/h10-13,15-18,23H,4-9,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyAEOZPZDGCNYDPN-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.67
Rot. Bonds11

About N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide

N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide (PubChem CID 42703790) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide.

Molecular Properties

Compound NameN-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide
PubChem CID42703790
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide
SMILESCCCCCCCCC(=O)NC(C(=O)Nc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C24H34N2O2/c1-4-5-6-7-8-9-14-22(27)26-23(18(2)3)24(28)25-21-16-15-19-12-10-11-13-20(19)17-21/h10-13,15-18,23H,4-9,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyAEOZPZDGCNYDPN-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]decanamide
CID 42703808
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
CID 69322278
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]nonanamide
CID 4122363
(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoic acid
CID 139697253
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide?
The IUPAC name of N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide (CID 42703790) is N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide.
What is the SMILES notation for N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide?
The canonical SMILES for N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide is CCCCCCCCC(=O)NC(C(=O)Nc1ccc2ccccc2c1)C(C)C.
What is the InChIKey of N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide?
The InChIKey is AEOZPZDGCNYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-4-5-6-7-8-9-14-22(27)26-23(18(2)3)24(28)25-21-16-15-19-12-10-11-13-20(19)17-21/h10-13,15-18,23H,4-9,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide?
N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide has a molecular weight of 382.55 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide is sourced from PubChem (CID 42703790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).