N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide

C19H23N3O3 — CID 129397268

IUPACN-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)o1
InChIInChI=1S/C19H23N3O3/c1-11-10-12(2)25-17(11)18(23)20-13(3)14-4-6-15(7-5-14)21-19(24)22-16-8-9-16/h4-7,10,13,16H,8-9H2,1-3H3,(H,20,23)(H2,21,22,24)/t13-/m1/s1
InChIKeyNLUOYUOHESYJDQ-CYBMUJFWSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds5

About N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide

N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 129397268) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
PubChem CID129397268
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)o1
InChIInChI=1S/C19H23N3O3/c1-11-10-12(2)25-17(11)18(23)20-13(3)14-4-6-15(7-5-14)21-19(24)22-16-8-9-16/h4-7,10,13,16H,8-9H2,1-3H3,(H,20,23)(H2,21,22,24)/t13-/m1/s1
InChIKeyNLUOYUOHESYJDQ-CYBMUJFWSA-N
XLogP3.67
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1,4-dioxane-2-carboxamide
CID 94002412
(2S)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1,4-dioxane-2-carboxamide
CID 94002410
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
CID 129359325
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
CID 119735214
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide
CID 119735258
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
CID 97232042

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide (CID 129397268) is N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)o1.
What is the InChIKey of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is NLUOYUOHESYJDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-10-12(2)25-17(11)18(23)20-13(3)14-4-6-15(7-5-14)21-19(24)22-16-8-9-16/h4-7,10,13,16H,8-9H2,1-3H3,(H,20,23)(H2,21,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 129397268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).