(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide

C15H20N4O — CID 99717701

IUPAC(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
SMILESCc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1
InChIInChI=1S/C15H20N4O/c1-10(18-11(2)15(16)20)13-4-6-14(7-5-13)19-9-8-17-12(19)3/h4-11,18H,1-3H3,(H2,16,20)/t10-,11-/m0/s1
InChIKeyFUWDSANQYXFNCD-QWRGUYRKSA-N
MW272.35 g/mol
LogP1.71
Rot. Bonds5

About (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide

(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide (PubChem CID 99717701) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
PubChem CID99717701
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
SMILESCc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1
InChIInChI=1S/C15H20N4O/c1-10(18-11(2)15(16)20)13-4-6-14(7-5-13)19-9-8-17-12(19)3/h4-11,18H,1-3H3,(H2,16,20)/t10-,11-/m0/s1
InChIKeyFUWDSANQYXFNCD-QWRGUYRKSA-N
XLogP1.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]-5-nitropyridine-3-carboxamide
CID 95974455
3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
CID 119034753
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide
CID 43777083
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid
CID 122042199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide (CID 99717701) is (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide is Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1.
What is the InChIKey of (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide?
The InChIKey is FUWDSANQYXFNCD-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(18-11(2)15(16)20)13-4-6-14(7-5-13)19-9-8-17-12(19)3/h4-11,18H,1-3H3,(H2,16,20)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide?
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide is sourced from PubChem (CID 99717701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).