3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide

C18H23N3O3 — CID 86980661

IUPAC3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccc(C(C)NC(=O)CC(NC(N)=O)c2ccccc2C)o1
InChIInChI=1S/C18H23N3O3/c1-11-6-4-5-7-14(11)15(21-18(19)23)10-17(22)20-13(3)16-9-8-12(2)24-16/h4-9,13,15H,10H2,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyPQIRCGFGFLZGIH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.87
Rot. Bonds6

About 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide (PubChem CID 86980661) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
PubChem CID86980661
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccc(C(C)NC(=O)CC(NC(N)=O)c2ccccc2C)o1
InChIInChI=1S/C18H23N3O3/c1-11-6-4-5-7-14(11)15(21-18(19)23)10-17(22)20-13(3)16-9-8-12(2)24-16/h4-9,13,15H,10H2,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyPQIRCGFGFLZGIH-UHFFFAOYSA-N
XLogP2.87
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 42931334
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119585603
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547355
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
2-[[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]methyl]-4-methylpentanoic acid
CID 122126211
3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
CID 86925215
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide (CID 86980661) is 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide is Cc1ccc(C(C)NC(=O)CC(NC(N)=O)c2ccccc2C)o1.
What is the InChIKey of 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
The InChIKey is PQIRCGFGFLZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-6-4-5-7-14(11)15(21-18(19)23)10-17(22)20-13(3)16-9-8-12(2)24-16/h4-9,13,15H,10H2,1-3H3,(H,20,22)(H3,19,21,23).
What are the key properties of 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 86980661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).