3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea

C17H27N3O2 — CID 99826340

IUPAC3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea
SMILESCCN(CCCN(C)C)C(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H27N3O2/c1-4-20(11-7-10-19(2)3)17(21)18-15-12-14-8-5-6-9-16(14)22-13-15/h5-6,8-9,15H,4,7,10-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyVRKNLDSQPZHTBY-OAHLLOKOSA-N
MW305.42 g/mol
LogP1.97
Rot. Bonds6

About 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea

3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea (PubChem CID 99826340) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea.

Molecular Properties

Compound Name3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea
PubChem CID99826340
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea
SMILESCCN(CCCN(C)C)C(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H27N3O2/c1-4-20(11-7-10-19(2)3)17(21)18-15-12-14-8-5-6-9-16(14)22-13-15/h5-6,8-9,15H,4,7,10-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyVRKNLDSQPZHTBY-OAHLLOKOSA-N
XLogP1.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide
CID 87017830
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea?
The IUPAC name of 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea (CID 99826340) is 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea.
What is the SMILES notation for 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea?
The canonical SMILES for 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea is CCN(CCCN(C)C)C(=O)N[C@H]1COc2ccccc2C1.
What is the InChIKey of 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea?
The InChIKey is VRKNLDSQPZHTBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-20(11-7-10-19(2)3)17(21)18-15-12-14-8-5-6-9-16(14)22-13-15/h5-6,8-9,15H,4,7,10-13H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea?
3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea has a molecular weight of 305.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-[3-(dimethylamino)propyl]-1-ethylurea is sourced from PubChem (CID 99826340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).