3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide

C14H21N3O3 — CID 106098277

IUPAC3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
SMILESCC(O)c1cccc(NC(=O)NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-9(18)10-5-4-6-11(7-10)16-13(20)17-14(2,3)8-12(15)19/h4-7,9,18H,8H2,1-3H3,(H2,15,19)(H2,16,17,20)
InChIKeyGFQIKWFBTPTPBU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds5

About 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide

3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide (PubChem CID 106098277) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
PubChem CID106098277
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
SMILESCC(O)c1cccc(NC(=O)NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-9(18)10-5-4-6-11(7-10)16-13(20)17-14(2,3)8-12(15)19/h4-7,9,18H,8H2,1-3H3,(H2,15,19)(H2,16,17,20)
InChIKeyGFQIKWFBTPTPBU-UHFFFAOYSA-N
XLogP1.52
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529
3-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701609
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
[3-(1-hydroxyethyl)phenyl]thiourea
CID 87682391
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
3-[(3-iodophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700438
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide?
The IUPAC name of 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide (CID 106098277) is 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide?
The canonical SMILES for 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide is CC(O)c1cccc(NC(=O)NC(C)(C)CC(N)=O)c1.
What is the InChIKey of 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide?
The InChIKey is GFQIKWFBTPTPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(18)10-5-4-6-11(7-10)16-13(20)17-14(2,3)8-12(15)19/h4-7,9,18H,8H2,1-3H3,(H2,15,19)(H2,16,17,20).
What are the key properties of 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide?
3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide is sourced from PubChem (CID 106098277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).