N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide

C16H32N2O — CID 63144012

IUPACN-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
SMILESCCCCCN(C(=O)C1(CCC)CCNC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-5-7-8-12-18(14(3)4)15(19)16(9-6-2)10-11-17-13-16/h14,17H,5-13H2,1-4H3
InChIKeyJORULUYBQWVZFW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds8

About N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide

N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63144012) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
PubChem CID63144012
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
SMILESCCCCCN(C(=O)C1(CCC)CCNC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-5-7-8-12-18(14(3)4)15(19)16(9-6-2)10-11-17-13-16/h14,17H,5-13H2,1-4H3
InChIKeyJORULUYBQWVZFW-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83071421
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
N-(cyclopropylmethyl)-N,3-dipropylpyrrolidine-3-carboxamide
CID 63138996

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide (CID 63144012) is N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide is CCCCCN(C(=O)C1(CCC)CCNC1)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is JORULUYBQWVZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-7-8-12-18(14(3)4)15(19)16(9-6-2)10-11-17-13-16/h14,17H,5-13H2,1-4H3.
What are the key properties of N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63144012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).