1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide

C16H31NO — CID 165364735

IUPAC1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C)CCC(C(C)C)C1
InChIInChI=1S/C16H31NO/c1-6-10-17(11-7-2)15(18)16(5)9-8-14(12-16)13(3)4/h13-14H,6-12H2,1-5H3
InChIKeyYKUUTKSONINZGA-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.10
Rot. Bonds6

About 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide

1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide (PubChem CID 165364735) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide
PubChem CID165364735
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C)CCC(C(C)C)C1
InChIInChI=1S/C16H31NO/c1-6-10-17(11-7-2)15(18)16(5)9-8-14(12-16)13(3)4/h13-14H,6-12H2,1-5H3
InChIKeyYKUUTKSONINZGA-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide (CID 165364735) is 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide is CCCN(CCC)C(=O)C1(C)CCC(C(C)C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide?
The InChIKey is YKUUTKSONINZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-10-17(11-7-2)15(18)16(5)9-8-14(12-16)13(3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide?
1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide has a molecular weight of 253.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N,N-dipropylcyclopentane-1-carboxamide is sourced from PubChem (CID 165364735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).