N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

C19H29N3O2 — CID 91839671

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)NCc2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C19H29N3O2/c1-21-9-7-17(14-21)22(2)10-8-19(23)20-13-15-5-6-18-16(12-15)4-3-11-24-18/h5-6,12,17H,3-4,7-11,13-14H2,1-2H3,(H,20,23)
InChIKeyOCRFRHWTFCQBIA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.65
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (PubChem CID 91839671) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
PubChem CID91839671
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)NCc2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C19H29N3O2/c1-21-9-7-17(14-21)22(2)10-8-19(23)20-13-15-5-6-18-16(12-15)4-3-11-24-18/h5-6,12,17H,3-4,7-11,13-14H2,1-2H3,(H,20,23)
InChIKeyOCRFRHWTFCQBIA-UHFFFAOYSA-N
XLogP1.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
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N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
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3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
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3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 125159003
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
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N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 118792594
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (CID 91839671) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is CN1CCC(N(C)CCC(=O)NCc2ccc3c(c2)CCCO3)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The InChIKey is OCRFRHWTFCQBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-9-7-17(14-21)22(2)10-8-19(23)20-13-15-5-6-18-16(12-15)4-3-11-24-18/h5-6,12,17H,3-4,7-11,13-14H2,1-2H3,(H,20,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide has a molecular weight of 331.46 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 91839671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).