N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide

C15H24N2O4 — CID 106353047

IUPACN-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)12(5-8-18)17-13(19)4-7-16-14(20)11-6-9-21-10-11/h6,9-10,12,18H,4-5,7-8H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyVPRBQUFDBDCTGD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.31
Rot. Bonds7

About N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide

N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 106353047) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
PubChem CID106353047
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)12(5-8-18)17-13(19)4-7-16-14(20)11-6-9-21-10-11/h6,9-10,12,18H,4-5,7-8H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyVPRBQUFDBDCTGD-UHFFFAOYSA-N
XLogP1.31
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822062
2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243124
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
N-[3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropyl]furan-3-carboxamide
CID 103725537
N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 46438456
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
CID 46431327
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
N-(3-bromobutyl)furan-3-carboxamide
CID 114312390
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 97260201
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103941143

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide (CID 106353047) is N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide is CC(C)(C)C(CCO)NC(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is VPRBQUFDBDCTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)12(5-8-18)17-13(19)4-7-16-14(20)11-6-9-21-10-11/h6,9-10,12,18H,4-5,7-8H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 106353047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).