ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate

C21H29N3O4 — CID 49149265

IUPACethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC1CC1
InChIInChI=1S/C21H29N3O4/c1-2-28-20(26)10-11-24(13-15-6-7-15)14-19(25)22-18-5-3-4-16(12-18)21(27)23-17-8-9-17/h3-5,12,15,17H,2,6-11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyLPRRSGMDVZCNES-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.18
Rot. Bonds11

About ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate

ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate (PubChem CID 49149265) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
PubChem CID49149265
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nameethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC1CC1
InChIInChI=1S/C21H29N3O4/c1-2-28-20(26)10-11-24(13-15-6-7-15)14-19(25)22-18-5-3-4-16(12-18)21(27)23-17-8-9-17/h3-5,12,15,17H,2,6-11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyLPRRSGMDVZCNES-UHFFFAOYSA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate with MolForge

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Related Compounds

N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 18287366
ethyl 3-[cyclopropylmethyl-[2-[4-(2,6-dimethylmorpholin-4-yl)anilino]-2-oxoethyl]amino]propanoate
CID 49232734
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 18127274
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
ethyl 3-[[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]-(cyclopropylmethyl)amino]propanoate
CID 56526255
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
CID 42151008
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 25497237
3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
CID 54817859

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate?
The IUPAC name of ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate (CID 49149265) is ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate?
The canonical SMILES for ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate is CCOC(=O)CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC1CC1.
What is the InChIKey of ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate?
The InChIKey is LPRRSGMDVZCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-28-20(26)10-11-24(13-15-6-7-15)14-19(25)22-18-5-3-4-16(12-18)21(27)23-17-8-9-17/h3-5,12,15,17H,2,6-11,13-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate?
ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate has a molecular weight of 387.48 g/mol, XLogP of 2.18, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate is sourced from PubChem (CID 49149265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).