(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide

C16H30N4O — CID 58012732

IUPAC(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
SMILESCC(C)[C@H](NCc1nccn1C)C(=O)N[C@H](C)C(C)(C)C
InChIInChI=1S/C16H30N4O/c1-11(2)14(15(21)19-12(3)16(4,5)6)18-10-13-17-8-9-20(13)7/h8-9,11-12,14,18H,10H2,1-7H3,(H,19,21)/t12-,14+/m1/s1
InChIKeyWZKNGXUYMXULGM-OCCSQVGLSA-N
MW294.44 g/mol
LogP2.09
Rot. Bonds6

About (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide

(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide (PubChem CID 58012732) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
PubChem CID58012732
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
SMILESCC(C)[C@H](NCc1nccn1C)C(=O)N[C@H](C)C(C)(C)C
InChIInChI=1S/C16H30N4O/c1-11(2)14(15(21)19-12(3)16(4,5)6)18-10-13-17-8-9-20(13)7/h8-9,11-12,14,18H,10H2,1-7H3,(H,19,21)/t12-,14+/m1/s1
InChIKeyWZKNGXUYMXULGM-OCCSQVGLSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide with MolForge

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Related Compounds

(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanethioamide
CID 58012772
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
(2S)-1-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 58012713
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63295598
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide?
The IUPAC name of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide (CID 58012732) is (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide.
What is the SMILES notation for (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide?
The canonical SMILES for (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide is CC(C)[C@H](NCc1nccn1C)C(=O)N[C@H](C)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide?
The InChIKey is WZKNGXUYMXULGM-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11(2)14(15(21)19-12(3)16(4,5)6)18-10-13-17-8-9-20(13)7/h8-9,11-12,14,18H,10H2,1-7H3,(H,19,21)/t12-,14+/m1/s1.
What are the key properties of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide?
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide has a molecular weight of 294.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide is sourced from PubChem (CID 58012732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).