N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide

C18H24N2O — CID 62369293

IUPACN-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-14(2)19-12-6-11-18(21)20-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,14,19H,6,11-13H2,1-2H3,(H,20,21)
InChIKeySOJUANAOQGPFTD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds7

About N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide

N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide (PubChem CID 62369293) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
PubChem CID62369293
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-14(2)19-12-6-11-18(21)20-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,14,19H,6,11-13H2,1-2H3,(H,20,21)
InChIKeySOJUANAOQGPFTD-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.23
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-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
N-[(2-methyl-3-nitrophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 103109430
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
CID 62369453
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide (CID 62369293) is N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is SOJUANAOQGPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)19-12-6-11-18(21)20-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,14,19H,6,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide?
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 284.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 62369293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).