4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide

C14H21N3O3 — CID 47325512

IUPAC4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1cc(C(=O)N(C)C)ccc1OC
InChIInChI=1S/C14H21N3O3/c1-5-8-15-14(19)16-11-9-10(13(18)17(2)3)6-7-12(11)20-4/h6-7,9H,5,8H2,1-4H3,(H2,15,16,19)
InChIKeyAREZCNQMQNZCND-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.93
Rot. Bonds5

About 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide

4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide (PubChem CID 47325512) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
PubChem CID47325512
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1cc(C(=O)N(C)C)ccc1OC
InChIInChI=1S/C14H21N3O3/c1-5-8-15-14(19)16-11-9-10(13(18)17(2)3)6-7-12(11)20-4/h6-7,9H,5,8H2,1-4H3,(H2,15,16,19)
InChIKeyAREZCNQMQNZCND-UHFFFAOYSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
4-methoxy-3-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 63742611
4-methoxy-N,N-dimethyl-3-[(3-methyl-2-phenylpentanoyl)amino]benzamide
CID 60537571
4-methoxy-3-(propylcarbamothioylamino)benzoic acid
CID 100555293
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 48796735
1-(4-carbamothioyl-2-methoxyphenyl)-3-propylurea
CID 104849466
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 119741837
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
CID 55893966

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide (CID 47325512) is 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide is CCCNC(=O)Nc1cc(C(=O)N(C)C)ccc1OC.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide?
The InChIKey is AREZCNQMQNZCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-8-15-14(19)16-11-9-10(13(18)17(2)3)6-7-12(11)20-4/h6-7,9H,5,8H2,1-4H3,(H2,15,16,19).
What are the key properties of 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide?
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide is sourced from PubChem (CID 47325512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).