3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide

C14H21N3O3 — CID 29209849

IUPAC3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-10(2)20-8-4-7-16-13(18)11-5-3-6-12(9-11)17-14(15)19/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyHFKQLXADJHIYKQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds7

About 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide

3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 29209849) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID29209849
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-10(2)20-8-4-7-16-13(18)11-5-3-6-12(9-11)17-14(15)19/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyHFKQLXADJHIYKQ-UHFFFAOYSA-N
XLogP1.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
N-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954974
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide (CID 29209849) is 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is HFKQLXADJHIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)20-8-4-7-16-13(18)11-5-3-6-12(9-11)17-14(15)19/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,18)(H3,15,17,19).
What are the key properties of 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 29209849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).