N-butan-2-yl-N-butylfuran-3-carboxamide

C13H21NO2 — CID 78858377

IUPACN-butan-2-yl-N-butylfuran-3-carboxamide
SMILESCCCCN(C(=O)c1ccoc1)C(C)CC
InChIInChI=1S/C13H21NO2/c1-4-6-8-14(11(3)5-2)13(15)12-7-9-16-10-12/h7,9-11H,4-6,8H2,1-3H3
InChIKeyKYJJPLPVXKXBDZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.32
Rot. Bonds6

About N-butan-2-yl-N-butylfuran-3-carboxamide

N-butan-2-yl-N-butylfuran-3-carboxamide (PubChem CID 78858377) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-butan-2-yl-N-butylfuran-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butylfuran-3-carboxamide
PubChem CID78858377
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-butan-2-yl-N-butylfuran-3-carboxamide
SMILESCCCCN(C(=O)c1ccoc1)C(C)CC
InChIInChI=1S/C13H21NO2/c1-4-6-8-14(11(3)5-2)13(15)12-7-9-16-10-12/h7,9-11H,4-6,8H2,1-3H3
InChIKeyKYJJPLPVXKXBDZ-UHFFFAOYSA-N
XLogP3.32
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-N-[3-(2-methylpropylamino)-3-oxopropyl]furan-3-carboxamide
CID 7297504
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
CID 103755268
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N,N-bis(3-methylbutyl)furan-3-carboxamide
CID 78833315
furan-3-carbonyl(hexyl)sulfamic acid
CID 67595409
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butylfuran-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-butylfuran-3-carboxamide (CID 78858377) is N-butan-2-yl-N-butylfuran-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butylfuran-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butylfuran-3-carboxamide is CCCCN(C(=O)c1ccoc1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butylfuran-3-carboxamide?
The InChIKey is KYJJPLPVXKXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-6-8-14(11(3)5-2)13(15)12-7-9-16-10-12/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butylfuran-3-carboxamide?
N-butan-2-yl-N-butylfuran-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butylfuran-3-carboxamide is sourced from PubChem (CID 78858377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).