N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide

C19H25N3O3 — CID 95129775

IUPACN-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)oc2C)c1
InChIInChI=1S/C19H25N3O3/c1-6-18(23)21-15-8-7-11(2)17(10-15)22-19(24)20-13(4)16-9-12(3)25-14(16)5/h7-10,13H,6H2,1-5H3,(H,21,23)(H2,20,22,24)/t13-/m1/s1
InChIKeyZWFNHCKIWJFDGQ-CYBMUJFWSA-N
MW343.43 g/mol
LogP4.44
Rot. Bonds5

About N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide

N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide (PubChem CID 95129775) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
PubChem CID95129775
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)oc2C)c1
InChIInChI=1S/C19H25N3O3/c1-6-18(23)21-15-8-7-11(2)17(10-15)22-19(24)20-13(4)16-9-12(3)25-14(16)5/h7-10,13H,6H2,1-5H3,(H,21,23)(H2,20,22,24)/t13-/m1/s1
InChIKeyZWFNHCKIWJFDGQ-CYBMUJFWSA-N
XLogP4.44
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
CID 95118026
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide (CID 95129775) is N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)oc2C)c1.
What is the InChIKey of N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide?
The InChIKey is ZWFNHCKIWJFDGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-6-18(23)21-15-8-7-11(2)17(10-15)22-19(24)20-13(4)16-9-12(3)25-14(16)5/h7-10,13H,6H2,1-5H3,(H,21,23)(H2,20,22,24)/t13-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide?
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 95129775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).