N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide

C19H21N3O2 — CID 67461997

IUPACN-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
SMILESCC[C@H](C)C(NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(N)=O
InChIInChI=1S/C19H21N3O2/c1-3-11(2)17(18(20)23)22-19(24)12-8-9-16-14(10-12)13-6-4-5-7-15(13)21-16/h4-11,17,21H,3H2,1-2H3,(H2,20,23)(H,22,24)/t11-,17?/m0/s1
InChIKeyKXJBJROWIFINDM-PIJUOJQZSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds5

About N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide

N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide (PubChem CID 67461997) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
PubChem CID67461997
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
SMILESCC[C@H](C)C(NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(N)=O
InChIInChI=1S/C19H21N3O2/c1-3-11(2)17(18(20)23)22-19(24)12-8-9-16-14(10-12)13-6-4-5-7-15(13)21-16/h4-11,17,21H,3H2,1-2H3,(H2,20,23)(H,22,24)/t11-,17?/m0/s1
InChIKeyKXJBJROWIFINDM-PIJUOJQZSA-N
XLogP2.95
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
CID 158196704
N-[(3S)-3-methyl-1-(oxan-4-ylmethylamino)-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
CID 87200615
N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide
CID 154170540
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
(2S,3S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194043

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide (CID 67461997) is N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide is CC[C@H](C)C(NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(N)=O.
What is the InChIKey of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide?
The InChIKey is KXJBJROWIFINDM-PIJUOJQZSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-11(2)17(18(20)23)22-19(24)12-8-9-16-14(10-12)13-6-4-5-7-15(13)21-16/h4-11,17,21H,3H2,1-2H3,(H2,20,23)(H,22,24)/t11-,17?/m0/s1.
What are the key properties of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide?
N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide is sourced from PubChem (CID 67461997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).