N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide

C12H19NO3 — CID 61038775

IUPACN-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H19NO3/c1-9(2)13(6-4-7-14)12(15)11-10(3)5-8-16-11/h5,8-9,14H,4,6-7H2,1-3H3
InChIKeyNFTBJLPURWUQJU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds5

About N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide

N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide (PubChem CID 61038775) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
PubChem CID61038775
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H19NO3/c1-9(2)13(6-4-7-14)12(15)11-10(3)5-8-16-11/h5,8-9,14H,4,6-7H2,1-3H3
InChIKeyNFTBJLPURWUQJU-UHFFFAOYSA-N
XLogP1.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 56757577
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 103857428
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
3-(3-aminoprop-1-ynyl)-N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzamide
CID 81459809
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 54916722
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide (CID 61038775) is N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide is Cc1ccoc1C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is NFTBJLPURWUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)13(6-4-7-14)12(15)11-10(3)5-8-16-11/h5,8-9,14H,4,6-7H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide?
N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 61038775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).