3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide

C23H26N4O3 — CID 56585519

IUPAC3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCCCOc1cccc2cccnc12)NC(N)=O
InChIInChI=1S/C23H26N4O3/c1-16-7-2-3-10-18(16)19(27-23(24)29)15-21(28)25-13-6-14-30-20-11-4-8-17-9-5-12-26-22(17)20/h2-5,7-12,19H,6,13-15H2,1H3,(H,25,28)(H3,24,27,29)
InChIKeyBXPRQNXJIKDWHE-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.23
Rot. Bonds9

About 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide

3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide (PubChem CID 56585519) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide
PubChem CID56585519
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCCCOc1cccc2cccnc12)NC(N)=O
InChIInChI=1S/C23H26N4O3/c1-16-7-2-3-10-18(16)19(27-23(24)29)15-21(28)25-13-6-14-30-20-11-4-8-17-9-5-12-26-22(17)20/h2-5,7-12,19H,6,13-15H2,1H3,(H,25,28)(H3,24,27,29)
InChIKeyBXPRQNXJIKDWHE-UHFFFAOYSA-N
XLogP3.23
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976043
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56534852
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide (CID 56585519) is 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide is Cc1ccccc1C(CC(=O)NCCCOc1cccc2cccnc12)NC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide?
The InChIKey is BXPRQNXJIKDWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-7-2-3-10-18(16)19(27-23(24)29)15-21(28)25-13-6-14-30-20-11-4-8-17-9-5-12-26-22(17)20/h2-5,7-12,19H,6,13-15H2,1H3,(H,25,28)(H3,24,27,29).
What are the key properties of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide?
3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide has a molecular weight of 406.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide is sourced from PubChem (CID 56585519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).