N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide

C16H22N2O4 — CID 42780190

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(CCN(CC1CCCO1)C(=O)c1ccoc1)NC1CC1
InChIInChI=1S/C16H22N2O4/c19-15(17-13-3-4-13)5-7-18(10-14-2-1-8-22-14)16(20)12-6-9-21-11-12/h6,9,11,13-14H,1-5,7-8,10H2,(H,17,19)
InChIKeyMHRATIMJLQMXQQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.57
Rot. Bonds7

About N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide (PubChem CID 42780190) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
PubChem CID42780190
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(CCN(CC1CCCO1)C(=O)c1ccoc1)NC1CC1
InChIInChI=1S/C16H22N2O4/c19-15(17-13-3-4-13)5-7-18(10-14-2-1-8-22-14)16(20)12-6-9-21-11-12/h6,9,11,13-14H,1-5,7-8,10H2,(H,17,19)
InChIKeyMHRATIMJLQMXQQ-UHFFFAOYSA-N
XLogP1.57
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780210
N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780281
N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143908
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
methyl 3-[(2-methylpyrazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964016
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
CID 95480071

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide (CID 42780190) is N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide is O=C(CCN(CC1CCCO1)C(=O)c1ccoc1)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is MHRATIMJLQMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15(17-13-3-4-13)5-7-18(10-14-2-1-8-22-14)16(20)12-6-9-21-11-12/h6,9,11,13-14H,1-5,7-8,10H2,(H,17,19).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 42780190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).