1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea

C14H23N3O2 — CID 47202599

IUPAC1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-4-12(10-18)15-14(19)16-13-7-5-6-11(8-13)9-17(2)3/h5-8,12,18H,4,9-10H2,1-3H3,(H2,15,16,19)
InChIKeyJREDHRSQRFFLLU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.64
Rot. Bonds6

About 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea

1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 47202599) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID47202599
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-4-12(10-18)15-14(19)16-13-7-5-6-11(8-13)9-17(2)3/h5-8,12,18H,4,9-10H2,1-3H3,(H2,15,16,19)
InChIKeyJREDHRSQRFFLLU-UHFFFAOYSA-N
XLogP1.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
1-[3-[(dimethylamino)methyl]phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111115089
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224753
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
1-(2,2-diethyl-4-hydroxybutyl)-3-[3-[(dimethylamino)methyl]phenyl]urea
CID 111499054
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea (CID 47202599) is 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is JREDHRSQRFFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12(10-18)15-14(19)16-13-7-5-6-11(8-13)9-17(2)3/h5-8,12,18H,4,9-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea?
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 265.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 47202599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).