3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C20H25ClN4O3 — CID 119450732

IUPAC3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.NC(=O)NC(CC(=O)NC1CCNC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O3.ClH/c21-20(26)24-18(12-19(25)23-15-9-10-22-13-15)14-5-4-8-17(11-14)27-16-6-2-1-3-7-16;/h1-8,11,15,18,22H,9-10,12-13H2,(H,23,25)(H3,21,24,26);1H
InChIKeyMIHSGTYRASVDSV-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.48
Rot. Bonds7

About 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119450732) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119450732
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.NC(=O)NC(CC(=O)NC1CCNC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O3.ClH/c21-20(26)24-18(12-19(25)23-15-9-10-22-13-15)14-5-4-8-17(11-14)27-16-6-2-1-3-7-16;/h1-8,11,15,18,22H,9-10,12-13H2,(H,23,25)(H3,21,24,26);1H
InChIKeyMIHSGTYRASVDSV-UHFFFAOYSA-N
XLogP2.48
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
CID 43005467
[3-(1,4-diazepan-1-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea;hydrochloride
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(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
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(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
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N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
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N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
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3,4-diphenyl-N-pyrrolidin-3-ylbutanamide
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CID 119430711

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119450732) is 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cl.NC(=O)NC(CC(=O)NC1CCNC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is MIHSGTYRASVDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.ClH/c21-20(26)24-18(12-19(25)23-15-9-10-22-13-15)14-5-4-8-17(11-14)27-16-6-2-1-3-7-16;/h1-8,11,15,18,22H,9-10,12-13H2,(H,23,25)(H3,21,24,26);1H.
What are the key properties of 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119450732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).