(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide

C18H25N5O2 — CID 96569745

IUPAC(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
SMILESCNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C18H25N5O2/c1-13(17(24)19-3)11-22(4)18(25)21-16-7-5-15(6-8-16)12-23-10-9-20-14(23)2/h5-10,13H,11-12H2,1-4H3,(H,19,24)(H,21,25)/t13-/m1/s1
InChIKeyMURRVQXVPPXFOP-CYBMUJFWSA-N
MW343.43 g/mol
LogP2.09
Rot. Bonds6

About (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide

(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide (PubChem CID 96569745) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
PubChem CID96569745
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
SMILESCNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C18H25N5O2/c1-13(17(24)19-3)11-22(4)18(25)21-16-7-5-15(6-8-16)12-23-10-9-20-14(23)2/h5-10,13H,11-12H2,1-4H3,(H,19,24)(H,21,25)/t13-/m1/s1
InChIKeyMURRVQXVPPXFOP-CYBMUJFWSA-N
XLogP2.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide with MolForge

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Related Compounds

2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 56578005
3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide
CID 86904048
(2S)-3-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569550
3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
CID 56583336
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56784420
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119821143
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
2-methyl-3-[methyl-[[4-(triazol-1-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122078901
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970770

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide?
The IUPAC name of (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide (CID 96569745) is (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide.
What is the SMILES notation for (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide?
The canonical SMILES for (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide is CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide?
The InChIKey is MURRVQXVPPXFOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(17(24)19-3)11-22(4)18(25)21-16-7-5-15(6-8-16)12-23-10-9-20-14(23)2/h5-10,13H,11-12H2,1-4H3,(H,19,24)(H,21,25)/t13-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide?
(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide has a molecular weight of 343.43 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 (2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide is sourced from PubChem (CID 96569745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).