N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide

C21H29N3O3 — CID 42958354

IUPACN-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCN(CC)C(CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C21H29N3O3/c1-3-24(4-2)18(15-17-9-6-5-7-10-17)16-23-20(25)12-13-22-21(26)19-11-8-14-27-19/h5-11,14,18H,3-4,12-13,15-16H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyAWJHYEMMZZPQGZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.47
Rot. Bonds11

About N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 42958354) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID42958354
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCN(CC)C(CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C21H29N3O3/c1-3-24(4-2)18(15-17-9-6-5-7-10-17)16-23-20(25)12-13-22-21(26)19-11-8-14-27-19/h5-11,14,18H,3-4,12-13,15-16H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyAWJHYEMMZZPQGZ-UHFFFAOYSA-N
XLogP2.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[2-(diethylamino)-4-methylpentyl]furan-2-carboxamide
CID 86984929
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43067597
2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243012
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
CID 120547174
N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43067463
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-(diethylamino)-3-phenylpropyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43067553
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 46592129

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 42958354) is N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide is CCN(CC)C(CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is AWJHYEMMZZPQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-24(4-2)18(15-17-9-6-5-7-10-17)16-23-20(25)12-13-22-21(26)19-11-8-14-27-19/h5-11,14,18H,3-4,12-13,15-16H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 42958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).