N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide

C22H33N3O2 — CID 4036927

IUPACN-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCC1
InChIInChI=1S/C22H33N3O2/c1-3-16(2)23-22(27)19-15-18(11-12-20(19)25-13-7-8-14-25)24-21(26)17-9-5-4-6-10-17/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyOMXZNVHJMPFZOS-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.33
Rot. Bonds6

About N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide

N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide (PubChem CID 4036927) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
PubChem CID4036927
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCC1
InChIInChI=1S/C22H33N3O2/c1-3-16(2)23-22(27)19-15-18(11-12-20(19)25-13-7-8-14-25)24-21(26)17-9-5-4-6-10-17/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyOMXZNVHJMPFZOS-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.33
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-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 5238984
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635
N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3646129

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide (CID 4036927) is N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCC1.
What is the InChIKey of N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is OMXZNVHJMPFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-16(2)23-22(27)19-15-18(11-12-20(19)25-13-7-8-14-25)24-21(26)17-9-5-4-6-10-17/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide?
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 371.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 4036927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).