N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide

C17H26N2O2 — CID 104524045

IUPACN-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1c2ccccc2OCC1C
InChIInChI=1S/C17H26N2O2/c1-4-13(3)19-16(20)9-10-18-17-12(2)11-21-15-8-6-5-7-14(15)17/h5-8,12-13,17-18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyBZFKFYKGFLHJGP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds6

About N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide

N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide (PubChem CID 104524045) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
PubChem CID104524045
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1c2ccccc2OCC1C
InChIInChI=1S/C17H26N2O2/c1-4-13(3)19-16(20)9-10-18-17-12(2)11-21-15-8-6-5-7-14(15)17/h5-8,12-13,17-18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyBZFKFYKGFLHJGP-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide
CID 61022571
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
N-butan-2-yl-3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide
CID 61022207
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide (CID 104524045) is N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide is CCC(C)NC(=O)CCNC1c2ccccc2OCC1C.
What is the InChIKey of N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
The InChIKey is BZFKFYKGFLHJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13(3)19-16(20)9-10-18-17-12(2)11-21-15-8-6-5-7-14(15)17/h5-8,12-13,17-18H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide is sourced from PubChem (CID 104524045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).