N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide

C25H30N2O — CID 142634383

IUPACN-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide
SMILESCC[C@H](C)[C@H](N)CN(Cc1cccc2ccccc12)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H30N2O/c1-4-19(3)24(26)17-27(25(28)21-14-12-18(2)13-15-21)16-22-10-7-9-20-8-5-6-11-23(20)22/h5-15,19,24H,4,16-17,26H2,1-3H3/t19-,24+/m0/s1
InChIKeyBOGMGUVHWAXSPR-YADARESESA-N
MW374.53 g/mol
LogP5.16
Rot. Bonds7

About N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide

N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 142634383) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide
PubChem CID142634383
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide
SMILESCC[C@H](C)[C@H](N)CN(Cc1cccc2ccccc12)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H30N2O/c1-4-19(3)24(26)17-27(25(28)21-14-12-18(2)13-15-21)16-22-10-7-9-20-8-5-6-11-23(20)22/h5-15,19,24H,4,16-17,26H2,1-3H3/t19-,24+/m0/s1
InChIKeyBOGMGUVHWAXSPR-YADARESESA-N
XLogP5.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide?
The IUPAC name of N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide (CID 142634383) is N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide is CC[C@H](C)[C@H](N)CN(Cc1cccc2ccccc12)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide?
The InChIKey is BOGMGUVHWAXSPR-YADARESESA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-19(3)24(26)17-27(25(28)21-14-12-18(2)13-15-21)16-22-10-7-9-20-8-5-6-11-23(20)22/h5-15,19,24H,4,16-17,26H2,1-3H3/t19-,24+/m0/s1.
What are the key properties of N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide?
N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 374.53 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-amino-3-methylpentyl]-4-methyl-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 142634383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).