(3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide

C19H30N2O2 — CID 10639290

IUPAC(3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C(C)C)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1
InChIInChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyUEAKCKJAKUFIQP-HNNXBMFYSA-N
MW318.46 g/mol
LogP3.25
Rot. Bonds6

About (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide

(3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10639290) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10639290
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C(C)C)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1
InChIInChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyUEAKCKJAKUFIQP-HNNXBMFYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 10639290) is (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(C(C)C)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1.
What is the InChIKey of (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is UEAKCKJAKUFIQP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10639290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).