N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide

C19H25NO3 — CID 50964980

IUPACN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
SMILESCCC(CO)N(Cc1ccco1)C(=O)CCc1ccccc1C
InChIInChI=1S/C19H25NO3/c1-3-17(14-21)20(13-18-9-6-12-23-18)19(22)11-10-16-8-5-4-7-15(16)2/h4-9,12,17,21H,3,10-11,13-14H2,1-2H3
InChIKeyKYIXGIKMUUACFB-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.32
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide (PubChem CID 50964980) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
PubChem CID50964980
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
SMILESCCC(CO)N(Cc1ccco1)C(=O)CCc1ccccc1C
InChIInChI=1S/C19H25NO3/c1-3-17(14-21)20(13-18-9-6-12-23-18)19(22)11-10-16-8-5-4-7-15(16)2/h4-9,12,17,21H,3,10-11,13-14H2,1-2H3
InChIKeyKYIXGIKMUUACFB-UHFFFAOYSA-N
XLogP3.32
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 46994383
N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
CID 63753493
N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
CID 95228784
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 98310107
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 98310106
3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
CID 112501488
N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide
CID 55188196
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 45235611
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
CID 125171573

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide (CID 50964980) is N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide is CCC(CO)N(Cc1ccco1)C(=O)CCc1ccccc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is KYIXGIKMUUACFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-17(14-21)20(13-18-9-6-12-23-18)19(22)11-10-16-8-5-4-7-15(16)2/h4-9,12,17,21H,3,10-11,13-14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide?
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 315.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 50964980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).