N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide

C18H31N3O3 — CID 42780049

IUPACN-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)CCNC(=O)c1ccoc1C
InChIInChI=1S/C18H31N3O3/c1-5-21(6-2)12-7-8-14(3)20-17(22)9-11-19-18(23)16-10-13-24-15(16)4/h10,13-14H,5-9,11-12H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyBVOHPULZQHMFFI-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.33
Rot. Bonds11

About N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide

N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide (PubChem CID 42780049) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide
PubChem CID42780049
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)CCNC(=O)c1ccoc1C
InChIInChI=1S/C18H31N3O3/c1-5-21(6-2)12-7-8-14(3)20-17(22)9-11-19-18(23)16-10-13-24-15(16)4/h10,13-14H,5-9,11-12H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyBVOHPULZQHMFFI-UHFFFAOYSA-N
XLogP2.33
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 94815752
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 5075714
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-[3-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111771444
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 7301981
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
3-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110998835

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide (CID 42780049) is N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide is CCN(CC)CCCC(C)NC(=O)CCNC(=O)c1ccoc1C.
What is the InChIKey of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide?
The InChIKey is BVOHPULZQHMFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-5-21(6-2)12-7-8-14(3)20-17(22)9-11-19-18(23)16-10-13-24-15(16)4/h10,13-14H,5-9,11-12H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide?
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 42780049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).