(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide

C21H26N4O3 — CID 166795983

IUPAC(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide
SMILESNc1ccccc1N(CCO)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C21H26N4O3/c22-17-8-4-5-9-19(17)25(12-13-26)21(28)24-18(20(27)23-16-10-11-16)14-15-6-2-1-3-7-15/h1-9,16,18,26H,10-14,22H2,(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyMLPPCHWWGUGFCO-GOSISDBHSA-N
MW382.46 g/mol
LogP1.67
Rot. Bonds8

About (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide

(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide (PubChem CID 166795983) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide
PubChem CID166795983
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide
SMILESNc1ccccc1N(CCO)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C21H26N4O3/c22-17-8-4-5-9-19(17)25(12-13-26)21(28)24-18(20(27)23-16-10-11-16)14-15-6-2-1-3-7-15/h1-9,16,18,26H,10-14,22H2,(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyMLPPCHWWGUGFCO-GOSISDBHSA-N
XLogP1.67
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
CID 114457031
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811442
(2S)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811441
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 166180453
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
CID 95159522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide (CID 166795983) is (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide is Nc1ccccc1N(CCO)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide?
The InChIKey is MLPPCHWWGUGFCO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-17-8-4-5-9-19(17)25(12-13-26)21(28)24-18(20(27)23-16-10-11-16)14-15-6-2-1-3-7-15/h1-9,16,18,26H,10-14,22H2,(H,23,27)(H,24,28)/t18-/m1/s1.
What are the key properties of (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide?
(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 1.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide is sourced from PubChem (CID 166795983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).