propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate

C24H29N3O4 — CID 55678292

IUPACpropan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCc1ccc(C(CC(=O)OC(C)C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C24H29N3O4/c1-15(2)31-22(28)14-21(17-6-4-16(3)5-7-17)27-23(29)18-8-10-19(11-9-18)25-24(30)26-20-12-13-20/h4-11,15,20-21H,12-14H2,1-3H3,(H,27,29)(H2,25,26,30)
InChIKeySKWVRKVFJQNJQE-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.09
Rot. Bonds8

About propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate

propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 55678292) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
PubChem CID55678292
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namepropan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCc1ccc(C(CC(=O)OC(C)C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C24H29N3O4/c1-15(2)31-22(28)14-21(17-6-4-16(3)5-7-17)27-23(29)18-8-10-19(11-9-18)25-24(30)26-20-12-13-20/h4-11,15,20-21H,12-14H2,1-3H3,(H,27,29)(H2,25,26,30)
InChIKeySKWVRKVFJQNJQE-UHFFFAOYSA-N
XLogP4.09
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
CID 48588082
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55677877
propan-2-yl 3-(4-methylphenyl)-3-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]propanoate
CID 46637785
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 52506460
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 26974136
propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 26069709
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
propan-2-yl 3-(4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 55440083

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate (CID 55678292) is propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate is Cc1ccc(C(CC(=O)OC(C)C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1.
What is the InChIKey of propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate?
The InChIKey is SKWVRKVFJQNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15(2)31-22(28)14-21(17-6-4-16(3)5-7-17)27-23(29)18-8-10-19(11-9-18)25-24(30)26-20-12-13-20/h4-11,15,20-21H,12-14H2,1-3H3,(H,27,29)(H2,25,26,30).
What are the key properties of propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate?
propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate has a molecular weight of 423.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55678292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).