(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide

C19H27N3O3 — CID 11810108

IUPAC(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
SMILESCC(=O)N[C@](C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)C1CC1
InChIInChI=1S/C19H27N3O3/c1-13(23)21-19(2,15-10-11-15)18(25)20-16(17(24)22(3)4)12-14-8-6-5-7-9-14/h5-9,15-16H,10-12H2,1-4H3,(H,20,25)(H,21,23)/t16-,19-/m0/s1
InChIKeyDVKIOUDUOJCNAW-LPHOPBHVSA-N
MW345.44 g/mol
LogP1.11
Rot. Bonds7

About (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide

(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide (PubChem CID 11810108) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
PubChem CID11810108
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
SMILESCC(=O)N[C@](C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)C1CC1
InChIInChI=1S/C19H27N3O3/c1-13(23)21-19(2,15-10-11-15)18(25)20-16(17(24)22(3)4)12-14-8-6-5-7-9-14/h5-9,15-16H,10-12H2,1-4H3,(H,20,25)(H,21,23)/t16-,19-/m0/s1
InChIKeyDVKIOUDUOJCNAW-LPHOPBHVSA-N
XLogP1.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 89347210
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
9H-fluoren-9-ylmethyl N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 163290440
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
3-(dihydroxymethyl)-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 54412017
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122025536
(3R)-3-benzyl-4-(dimethylamino)-4-oxobutanoic acid
CID 139971976
N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 95185467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
The IUPAC name of (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide (CID 11810108) is (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide is CC(=O)N[C@](C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)C1CC1.
What is the InChIKey of (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
The InChIKey is DVKIOUDUOJCNAW-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(23)21-19(2,15-10-11-15)18(25)20-16(17(24)22(3)4)12-14-8-6-5-7-9-14/h5-9,15-16H,10-12H2,1-4H3,(H,20,25)(H,21,23)/t16-,19-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 11810108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).