3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide

C24H23N3O3 — CID 56547355

IUPAC3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
SMILESCc1ccccc1C(CC(=O)NC1c2ccccc2Oc2ccccc21)NC(N)=O
InChIInChI=1S/C24H23N3O3/c1-15-8-2-3-9-16(15)19(26-24(25)29)14-22(28)27-23-17-10-4-6-12-20(17)30-21-13-7-5-11-18(21)23/h2-13,19,23H,14H2,1H3,(H,27,28)(H3,25,26,29)
InChIKeyUFMCSGLLDXFUMX-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.11
Rot. Bonds5

About 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide

3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide (PubChem CID 56547355) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
PubChem CID56547355
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
SMILESCc1ccccc1C(CC(=O)NC1c2ccccc2Oc2ccccc21)NC(N)=O
InChIInChI=1S/C24H23N3O3/c1-15-8-2-3-9-16(15)19(26-24(25)29)14-22(28)27-23-17-10-4-6-12-20(17)30-21-13-7-5-11-18(21)23/h2-13,19,23H,14H2,1H3,(H,27,28)(H3,25,26,29)
InChIKeyUFMCSGLLDXFUMX-UHFFFAOYSA-N
XLogP4.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
CID 138717560
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119585603
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 86980661
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
CID 119424459
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
2-amino-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid;2-amino-5-oxo-5-(9H-xanthen-9-ylamino)pentanoic acid;9H-xanthen-9-ylurea
CID 161222484
2-[[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]methyl]-4-methylpentanoic acid
CID 122126211
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
CID 86925215

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide (CID 56547355) is 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide is Cc1ccccc1C(CC(=O)NC1c2ccccc2Oc2ccccc21)NC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide?
The InChIKey is UFMCSGLLDXFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-8-2-3-9-16(15)19(26-24(25)29)14-22(28)27-23-17-10-4-6-12-20(17)30-21-13-7-5-11-18(21)23/h2-13,19,23H,14H2,1H3,(H,27,28)(H3,25,26,29).
What are the key properties of 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide?
3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide is sourced from PubChem (CID 56547355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).