N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide

C18H30N2O — CID 97321825

IUPACN-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(CN[C@H](C)[C@@H](C)CC)c1
InChIInChI=1S/C18H30N2O/c1-6-13(3)15(5)19-12-16-9-8-10-17(11-16)18(21)20-14(4)7-2/h8-11,13-15,19H,6-7,12H2,1-5H3,(H,20,21)/t13-,14-,15+/m0/s1
InChIKeyATOQZLBCFDQYGP-SOUVJXGZSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds8

About N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide

N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide (PubChem CID 97321825) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide
PubChem CID97321825
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(CN[C@H](C)[C@@H](C)CC)c1
InChIInChI=1S/C18H30N2O/c1-6-13(3)15(5)19-12-16-9-8-10-17(11-16)18(21)20-14(4)7-2/h8-11,13-15,19H,6-7,12H2,1-5H3,(H,20,21)/t13-,14-,15+/m0/s1
InChIKeyATOQZLBCFDQYGP-SOUVJXGZSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
CID 97230259
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719774
3-[(2-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide (CID 97321825) is N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide is CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)[C@@H](C)CC)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide?
The InChIKey is ATOQZLBCFDQYGP-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-13(3)15(5)19-12-16-9-8-10-17(11-16)18(21)20-14(4)7-2/h8-11,13-15,19H,6-7,12H2,1-5H3,(H,20,21)/t13-,14-,15+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide?
N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide has a molecular weight of 290.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 97321825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).