3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide

C16H25N3O4 — CID 136573479

IUPAC3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N(CCCO)C(C)C)c1
InChIInChI=1S/C16H25N3O4/c1-11(2)19(8-5-9-20)16(22)18-13-10-12(15(21)17-3)6-7-14(13)23-4/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeySVAOKBQAXYMQHZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.68
Rot. Bonds7

About 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide

3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide (PubChem CID 136573479) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
PubChem CID136573479
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N(CCCO)C(C)C)c1
InChIInChI=1S/C16H25N3O4/c1-11(2)19(8-5-9-20)16(22)18-13-10-12(15(21)17-3)6-7-14(13)23-4/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeySVAOKBQAXYMQHZ-UHFFFAOYSA-N
XLogP1.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
CID 118773925
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
CID 126796657
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(3-hydroxypropyl)-4-methoxy-3-nitro-N-propan-2-ylbenzamide
CID 61039539
3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001794
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87025364
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
6-(dimethylamino)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 78887354
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide (CID 136573479) is 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NC(=O)N(CCCO)C(C)C)c1.
What is the InChIKey of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
The InChIKey is SVAOKBQAXYMQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11(2)19(8-5-9-20)16(22)18-13-10-12(15(21)17-3)6-7-14(13)23-4/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide has a molecular weight of 323.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 136573479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).