3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide

C18H22N4O4 — CID 86925215

IUPAC3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCC(=O)NCc1ccco1)NC(N)=O
InChIInChI=1S/C18H22N4O4/c1-12-5-2-3-7-14(12)15(22-18(19)25)9-16(23)21-11-17(24)20-10-13-6-4-8-26-13/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,23)(H3,19,22,25)
InChIKeyPBICZOQUXPYWNV-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.12
Rot. Bonds8

About 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide (PubChem CID 86925215) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
PubChem CID86925215
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCC(=O)NCc1ccco1)NC(N)=O
InChIInChI=1S/C18H22N4O4/c1-12-5-2-3-7-14(12)15(22-18(19)25)9-16(23)21-11-17(24)20-10-13-6-4-8-26-13/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,23)(H3,19,22,25)
InChIKeyPBICZOQUXPYWNV-UHFFFAOYSA-N
XLogP1.12
TPSA126.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 86980661
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 71257877
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547355

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide (CID 86925215) is 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1C(CC(=O)NCC(=O)NCc1ccco1)NC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide?
The InChIKey is PBICZOQUXPYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-5-2-3-7-14(12)15(22-18(19)25)9-16(23)21-11-17(24)20-10-13-6-4-8-26-13/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,23)(H3,19,22,25).
What are the key properties of 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide?
3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide has a molecular weight of 358.40 g/mol, XLogP of 1.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 86925215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).