N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide

C29H48N4O4 — CID 153313338

IUPACN-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
SMILESO=C(NCC(CNC(=O)C1CCCC1)(CNC(=O)C1CCCC1)CNC(=O)C1CCCC1)C1CCCC1
InChIInChI=1S/C29H48N4O4/c34-25(21-9-1-2-10-21)30-17-29(18-31-26(35)22-11-3-4-12-22,19-32-27(36)23-13-5-6-14-23)20-33-28(37)24-15-7-8-16-24/h21-24H,1-20H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyHBIANMDQCVLEDT-UHFFFAOYSA-N
MW516.73 g/mol
LogP3.20
Rot. Bonds12

About N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide

N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide (PubChem CID 153313338) has the molecular formula C29H48N4O4 and a molecular weight of 516.73 g/mol. Its IUPAC name is N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
PubChem CID153313338
Molecular FormulaC29H48N4O4
Molecular Weight516.73 g/mol
Exact Mass516.37
IUPAC NameN-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
SMILESO=C(NCC(CNC(=O)C1CCCC1)(CNC(=O)C1CCCC1)CNC(=O)C1CCCC1)C1CCCC1
InChIInChI=1S/C29H48N4O4/c34-25(21-9-1-2-10-21)30-17-29(18-31-26(35)22-11-3-4-12-22,19-32-27(36)23-13-5-6-14-23)20-33-28(37)24-15-7-8-16-24/h21-24H,1-20H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyHBIANMDQCVLEDT-UHFFFAOYSA-N
XLogP3.20
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.73
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
CID 131020411
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide (CID 153313338) is N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide is O=C(NCC(CNC(=O)C1CCCC1)(CNC(=O)C1CCCC1)CNC(=O)C1CCCC1)C1CCCC1.
What is the InChIKey of N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide?
The InChIKey is HBIANMDQCVLEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N4O4/c34-25(21-9-1-2-10-21)30-17-29(18-31-26(35)22-11-3-4-12-22,19-32-27(36)23-13-5-6-14-23)20-33-28(37)24-15-7-8-16-24/h21-24H,1-20H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37).
What are the key properties of N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide?
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide has a molecular weight of 516.73 g/mol, XLogP of 3.20, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 153313338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).