(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide

C19H28N4O — CID 119855852

IUPAC(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C19H28N4O/c1-13(2)10-17(20)19(24)22-16-7-5-6-15(11-16)12-23-9-8-21-18(23)14(3)4/h5-9,11,13-14,17H,10,12,20H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyAWMCAWXRWPWWHB-KRWDZBQOSA-N
MW328.46 g/mol
LogP3.37
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide

(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide (PubChem CID 119855852) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
PubChem CID119855852
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C19H28N4O/c1-13(2)10-17(20)19(24)22-16-7-5-6-15(11-16)12-23-9-8-21-18(23)14(3)4/h5-9,11,13-14,17H,10,12,20H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyAWMCAWXRWPWWHB-KRWDZBQOSA-N
XLogP3.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
CID 55859737
2-(ethylsulfonylamino)-4-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]butanamide
CID 56540396
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713
1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55859731
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide (CID 119855852) is (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide?
The InChIKey is AWMCAWXRWPWWHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13(2)10-17(20)19(24)22-16-7-5-6-15(11-16)12-23-9-8-21-18(23)14(3)4/h5-9,11,13-14,17H,10,12,20H2,1-4H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide has a molecular weight of 328.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 119855852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).