(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide

C16H22N4O — CID 90650658

IUPAC(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CN(C)C(=O)[C@@](C)(N)Cc2ccccc2)[nH]1
InChIInChI=1S/C16H22N4O/c1-12-10-18-14(19-12)11-20(3)15(21)16(2,17)9-13-7-5-4-6-8-13/h4-8,10H,9,11,17H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyMPTMVGUTCSMJIP-INIZCTEOSA-N
MW286.38 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide

(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 90650658) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID90650658
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CN(C)C(=O)[C@@](C)(N)Cc2ccccc2)[nH]1
InChIInChI=1S/C16H22N4O/c1-12-10-18-14(19-12)11-20(3)15(21)16(2,17)9-13-7-5-4-6-8-13/h4-8,10H,9,11,17H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyMPTMVGUTCSMJIP-INIZCTEOSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide (CID 90650658) is (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide is Cc1cnc(CN(C)C(=O)[C@@](C)(N)Cc2ccccc2)[nH]1.
What is the InChIKey of (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is MPTMVGUTCSMJIP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-10-18-14(19-12)11-20(3)15(21)16(2,17)9-13-7-5-4-6-8-13/h4-8,10H,9,11,17H2,1-3H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide?
(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 90650658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).