N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

C24H31N3O2 — CID 1059189

IUPACN-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)N[C@H](C)CC)c2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-17(3)25-24(29)21-16-20(12-13-22(21)27-14-6-7-15-27)26-23(28)19-10-8-18(5-2)9-11-19/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyHNGUFDUEFAMTOV-QGZVFWFLSA-N
MW393.53 g/mol
LogP4.63
Rot. Bonds7

About N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 1059189) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID1059189
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)N[C@H](C)CC)c2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-17(3)25-24(29)21-16-20(12-13-22(21)27-14-6-7-15-27)26-23(28)19-10-8-18(5-2)9-11-19/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyHNGUFDUEFAMTOV-QGZVFWFLSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
CID 1059167
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
N-[3-[[(2S)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1059186
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 1059189) is N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is CCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)N[C@H](C)CC)c2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is HNGUFDUEFAMTOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-17(3)25-24(29)21-16-20(12-13-22(21)27-14-6-7-15-27)26-23(28)19-10-8-18(5-2)9-11-19/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,29)(H,26,28)/t17-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1059189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).