3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide

C14H21N3O3 — CID 122566906

IUPAC3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-17(2)13(19)8-9-15-14(20)16-12(10-18)11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChIKeyUIXYWEIIKZTTFV-LBPRGKRZSA-N
MW279.34 g/mol
LogP0.50
Rot. Bonds6

About 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide

3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 122566906) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
PubChem CID122566906
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-17(2)13(19)8-9-15-14(20)16-12(10-18)11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChIKeyUIXYWEIIKZTTFV-LBPRGKRZSA-N
XLogP0.50
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110903342
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110894926
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylsulfanylpropyl)urea
CID 110005811
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide (CID 122566906) is 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is UIXYWEIIKZTTFV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)13(19)8-9-15-14(20)16-12(10-18)11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3,(H2,15,16,20)/t12-/m0/s1.
What are the key properties of 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide?
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 122566906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).