(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide

C20H26N4O — CID 154953624

IUPAC(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide
SMILESCc1ncn(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1
InChIInChI=1S/C20H26N4O/c1-12-19(24(2)11-22-12)15-7-9-16(10-8-15)23-20(25)18(21)17(13-3-4-13)14-5-6-14/h7-11,13-14,17-18H,3-6,21H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyJGNIVUUYGQPVSQ-SFHVURJKSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds6

About (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide

(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide (PubChem CID 154953624) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide
PubChem CID154953624
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide
SMILESCc1ncn(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1
InChIInChI=1S/C20H26N4O/c1-12-19(24(2)11-22-12)15-7-9-16(10-8-15)23-20(25)18(21)17(13-3-4-13)14-5-6-14/h7-11,13-14,17-18H,3-6,21H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyJGNIVUUYGQPVSQ-SFHVURJKSA-N
XLogP3.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dicyclopropyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanamide
CID 167148891
2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 154944123
(2S)-2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 149303159
(2S)-2-amino-2-cyclopentyl-N-[4-(2,4-dimethyl-3-pyridinyl)phenyl]acetamide
CID 175462730
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
CID 164806514
CID 164806514
[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
CID 154944157
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 103928696
(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide
CID 177368511
(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
CID 163275805
2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
CID 119822813
3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide
CID 166903535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide (CID 154953624) is (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide is Cc1ncn(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide?
The InChIKey is JGNIVUUYGQPVSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O/c1-12-19(24(2)11-22-12)15-7-9-16(10-8-15)23-20(25)18(21)17(13-3-4-13)14-5-6-14/h7-11,13-14,17-18H,3-6,21H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide?
(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 154953624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).