N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide

C14H21N3O3 — CID 115574214

IUPACN-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)C(=O)NCc1ccco1
InChIInChI=1S/C14H21N3O3/c1-10(13(18)17-9-12-3-2-8-20-12)15-6-7-16-14(19)11-4-5-11/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyRGGWVFSYMUKIKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.40
Rot. Bonds8

About N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 115574214) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
PubChem CID115574214
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)C(=O)NCc1ccco1
InChIInChI=1S/C14H21N3O3/c1-10(13(18)17-9-12-3-2-8-20-12)15-6-7-16-14(19)11-4-5-11/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyRGGWVFSYMUKIKC-UHFFFAOYSA-N
XLogP0.40
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide
CID 82943073
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide (CID 115574214) is N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)C(=O)NCc1ccco1.
What is the InChIKey of N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is RGGWVFSYMUKIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(13(18)17-9-12-3-2-8-20-12)15-6-7-16-14(19)11-4-5-11/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115574214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).