N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide

C21H28N2O2 — CID 173464064

IUPACN-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide
SMILESCC[C@H](C)[C@H](N)CNC(=O)c1ccccc1-c1ccc(COC)cc1
InChIInChI=1S/C21H28N2O2/c1-4-15(2)20(22)13-23-21(24)19-8-6-5-7-18(19)17-11-9-16(10-12-17)14-25-3/h5-12,15,20H,4,13-14,22H2,1-3H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyBUMQEAUPVATPQR-MGPUTAFESA-N
MW340.47 g/mol
LogP3.60
Rot. Bonds8

About N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide

N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide (PubChem CID 173464064) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide
PubChem CID173464064
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide
SMILESCC[C@H](C)[C@H](N)CNC(=O)c1ccccc1-c1ccc(COC)cc1
InChIInChI=1S/C21H28N2O2/c1-4-15(2)20(22)13-23-21(24)19-8-6-5-7-18(19)17-11-9-16(10-12-17)14-25-3/h5-12,15,20H,4,13-14,22H2,1-3H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyBUMQEAUPVATPQR-MGPUTAFESA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
CID 71969005
2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
CID 6345491
2-[4-(2-methoxyethoxymethyl)phenyl]benzenecarbothioamide
CID 29270644
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
2-[4-(2-methoxyethyl)phenyl]benzoic acid
CID 61025269
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
N-butyl-2-phenylbenzamide
CID 21064565
2-(ethylamino)-N-(3-methoxy-2-methylpropyl)benzamide
CID 62175521
N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103771486

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide?
The IUPAC name of N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide (CID 173464064) is N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide is CC[C@H](C)[C@H](N)CNC(=O)c1ccccc1-c1ccc(COC)cc1.
What is the InChIKey of N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide?
The InChIKey is BUMQEAUPVATPQR-MGPUTAFESA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-15(2)20(22)13-23-21(24)19-8-6-5-7-18(19)17-11-9-16(10-12-17)14-25-3/h5-12,15,20H,4,13-14,22H2,1-3H3,(H,23,24)/t15-,20+/m0/s1.
What are the key properties of N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide?
N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 173464064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).